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CAS 15663-27-1 cis-Diammineplatinum(II) Dichloride molecular structure lightbox
CAS RN: 15663-27-1

cis-Diammineplatinum(II) Dichloride

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  • Product code: ICTD3371
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15663-27-1 / azane;dichloroplatinum

Standard CAS: 15663-27-1 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
15663-27-1
Multi CAS
No
Molecular Formula
Cl2H6N2Pt
Molecular Weight
300.050000
Exact Mass
298.955598
SMILES
N.N.Cl[Pt]Cl
InChI
InChI=1S/2ClH.2H3N.Pt/h2*1H;2*1H3;/q;;;;+2/p-2
InChIKey
LXZZYRPGZAFOLE-UHFFFAOYSA-L

Physical Properties

Melting Point
518 °F approximately (decomposes) (NTP, 1992)
Physical Description
Platinol appears as an anticancer drug. Orange-yellow to deep yellow solid or powder. (NTP, 1992)
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should store this chemical under ambient temperatures, and keep it away from oxidizing materials. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
21.75
TPSA
70

LogP / Solubility

WLOGP
1.7
MLOGP
1.51
XLogP3
1.7
Consensus LogP
1.64
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1

Safety & Transport

Pictogram(s)
Corrosive Acute Toxic Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H300+H310 (21.2%): Fatal if swallowed or in contact with skin [Danger Acute toxicity, oral; acute toxicity, dermal] H300 (99%): Fatal if swallowed [Danger Acute toxicity, oral] H310 (23.1%): Fatal in contact with skin [Danger Acute toxicity, dermal] H315 (10.6%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (40.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P203, P233, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P361+P364, P362+P364, P403, P403+P233, P405, and P501 P203, P280, P318, P405, and P501 P203, P260, P263, P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P308+P316, P318, P319, P321, P330, P337+P317, P405, and P501

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